3-ethyl-6-methoxy-1,2,4,5-tetraoxane

C5H10O5 — CID 119096406

IUPAC3-ethyl-6-methoxy-1,2,4,5-tetraoxane
SMILESCCC1OOC(OC)OO1
InChIInChI=1S/C5H10O5/c1-3-4-7-9-5(6-2)10-8-4/h4-5H,3H2,1-2H3
InChIKeyHKWUBWNLNDUSDB-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.56
Rot. Bonds2

About 3-ethyl-6-methoxy-1,2,4,5-tetraoxane

3-ethyl-6-methoxy-1,2,4,5-tetraoxane (PubChem CID 119096406) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-ethyl-6-methoxy-1,2,4,5-tetraoxane
PubChem CID119096406
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name3-ethyl-6-methoxy-1,2,4,5-tetraoxane
SMILESCCC1OOC(OC)OO1
InChIInChI=1S/C5H10O5/c1-3-4-7-9-5(6-2)10-8-4/h4-5H,3H2,1-2H3
InChIKeyHKWUBWNLNDUSDB-UHFFFAOYSA-N
XLogP0.56
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-1,2,4,5-tetraoxane?
The IUPAC name of 3-ethyl-6-methoxy-1,2,4,5-tetraoxane (CID 119096406) is 3-ethyl-6-methoxy-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-ethyl-6-methoxy-1,2,4,5-tetraoxane?
The canonical SMILES for 3-ethyl-6-methoxy-1,2,4,5-tetraoxane is CCC1OOC(OC)OO1.
What is the InChIKey of 3-ethyl-6-methoxy-1,2,4,5-tetraoxane?
The InChIKey is HKWUBWNLNDUSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c1-3-4-7-9-5(6-2)10-8-4/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methoxy-1,2,4,5-tetraoxane?
3-ethyl-6-methoxy-1,2,4,5-tetraoxane has a molecular weight of 150.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-1,2,4,5-tetraoxane is sourced from PubChem (CID 119096406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).